forked from lijiext/lammps
updating files that have lists of command styles
This commit is contained in:
Steve Plimpton
parent
4015b36a1a
commit
a979c6eeec
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@ -34,7 +34,7 @@ OPT.
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"fene (iko)"_bond_fene.html,
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"fene/expand (o)"_bond_fene_expand.html,
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"gromos (o)"_bond_gromos.html,
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"harmonic (ko)"_bond_harmonic.html,
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"harmonic (iko)"_bond_harmonic.html,
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"harmonic/shift (o)"_bond_harmonic_shift.html,
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"harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html,
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"morse (o)"_bond_morse.html,
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@ -57,9 +57,11 @@ OPT.
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"zero"_angle_zero.html,
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"hybrid"_angle_hybrid.html :tb(c=3,ea=c)
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"charmm (ko)"_angle_charmm.html,
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"charmm (iko)"_angle_charmm.html,
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"class2 (ko)"_angle_class2.html,
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"class2/p6"_angle_class2.html,
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"cosine (o)"_angle_cosine.html,
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"cosine/buck6d"_angle_cosine_buck6d.html,
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"cosine/delta (o)"_angle_cosine_delta.html,
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"cosine/periodic (o)"_angle_cosine_periodic.html,
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"cosine/shift (o)"_angle_cosine_shift.html,
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@ -97,7 +99,7 @@ OPT.
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"nharmonic (o)"_dihedral_nharmonic.html,
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"opls (iko)"_dihedral_opls.html,
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"quadratic (o)"_dihedral_quadratic.html,
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"spherical (o)"_dihedral_spherical.html,
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"spherical"_dihedral_spherical.html,
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"table (o)"_dihedral_table.html,
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"table/cut"_dihedral_table_cut.html :tb(c=4,ea=c)
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@ -112,7 +114,7 @@ OPT.
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"none"_improper_none.html,
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"zero"_improper_zero.html,
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"hybrid"_improper_hybrid.html :tb(c=3,ea=c)
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"hybrid"_improper_hybrid.html :tb(c=3,ea=c)
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"class2 (ko)"_improper_class2.html,
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"cossq (o)"_improper_cossq.html,
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@ -120,5 +122,6 @@ OPT.
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"distance"_improper_distance.html,
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"fourier (o)"_improper_fourier.html,
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"harmonic (iko)"_improper_harmonic.html,
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"inversion/harmonic"_improper_inversion_harmonic.html,
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"ring (o)"_improper_ring.html,
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"umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c)
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@ -92,6 +92,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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"pe/tally"_compute_tally.html,
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"plasticity/atom"_compute_plasticity_atom.html,
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"pressure"_compute_pressure.html,
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"pressure/cylinder"_compute_pressure_cylinder.html,
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"pressure/uef"_compute_pressure_uef.html,
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"property/atom"_compute_property_atom.html,
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"property/chunk"_compute_property_chunk.html,
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@ -118,7 +119,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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"smd/tlsph/strain"_compute_smd_tlsph_strain.html,
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"smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html,
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"smd/tlsph/stress"_compute_smd_tlsph_stress.html,
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"smd/triangle/mesh/vertices"_compute_smd_triangle_vertices.html,
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"smd/triangle/vertices"_compute_smd_triangle_vertices.html,
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"smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html,
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"smd/ulsph/strain"_compute_smd_ulsph_strain.html,
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"smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html,
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@ -129,6 +130,8 @@ KOKKOS, o = USER-OMP, t = OPT.
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"snav/atom"_compute_sna_atom.html,
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"spin"_compute_spin.html,
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"stress/atom"_compute_stress_atom.html,
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"stress/mop"_compute_stress_mop.html,
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"stress/mop/profile"_compute_stress_mop.html,
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"stress/tally"_compute_tally.html,
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"tdpd/cc/atom"_compute_tdpd_cc_atom.html,
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"temp (k)"_compute_temp.html,
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@ -136,6 +139,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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"temp/body"_compute_temp_body.html,
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"temp/chunk"_compute_temp_chunk.html,
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"temp/com"_compute_temp_com.html,
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"temp/cs"_compute_temp_cs.html,
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"temp/deform"_compute_temp_deform.html,
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"temp/deform/eff"_compute_temp_deform_eff.html,
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"temp/drude"_compute_temp_drude.html,
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@ -40,11 +40,13 @@ OPT.
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"ave/time"_fix_ave_time.html,
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"aveforce"_fix_aveforce.html,
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"balance"_fix_balance.html,
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"bocs"_fix_bocs.html,
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"bond/break"_fix_bond_break.html,
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"bond/create"_fix_bond_create.html,
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"bond/react"_fix_bond_react.html,
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"bond/swap"_fix_bond_swap.html,
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"box/relax"_fix_box_relax.html,
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"client/md"_fix_client_md.html,
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"cmap"_fix_cmap.html,
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"colvars"_fix_colvars.html,
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"controller"_fix_controller.html,
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@ -54,7 +56,7 @@ OPT.
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"drag"_fix_drag.html,
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"drude"_fix_drude.html,
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"drude/transform/direct"_fix_drude_transform.html,
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"drude/transform/reverse"_fix_drude_transform.html,
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"drude/transform/inverse"_fix_drude_transform.html,
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"dt/reset"_fix_dt_reset.html,
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"edpd/source"_fix_dpd_source.html,
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"efield"_fix_efield.html,
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@ -107,15 +109,16 @@ OPT.
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"nph/eff"_fix_nh_eff.html,
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"nph/sphere (ko)"_fix_nph_sphere.html,
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"nphug (o)"_fix_nphug.html,
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"npt (kio)"_fix_nh.html,
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"npt (iko)"_fix_nh.html,
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"npt/asphere (o)"_fix_npt_asphere.html,
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"npt/body"_fix_npt_body.html,
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"npt/eff"_fix_nh_eff.html,
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"npt/sphere (o)"_fix_npt_sphere.html,
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"npt/uef"_fix_nh_uef.html,
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"nve (kio)"_fix_nve.html,
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"nve (iko)"_fix_nve.html,
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"nve/asphere (i)"_fix_nve_asphere.html,
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"nve/asphere/noforce"_fix_nve_asphere_noforce.html,
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"nve/awpmd"_fix_nve_awpmd.html,
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"nve/body"_fix_nve_body.html,
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"nve/dot"_fix_nve_dot.html,
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"nve/dotc/langevin"_fix_nve_dotc_langevin.html,
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@ -170,26 +173,26 @@ OPT.
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"rhok"_fix_rhok.html,
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"rigid (o)"_fix_rigid.html,
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"rigid/nph (o)"_fix_rigid.html,
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"rigid/nph/small"_fix_rigid.html,
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"rigid/npt (o)"_fix_rigid.html,
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"rigid/npt/small"_fix_rigid.html,
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"rigid/nve (o)"_fix_rigid.html,
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"rigid/nve/small"_fix_rigid.html,
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"rigid/nvt (o)"_fix_rigid.html,
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"rigid/nvt/small"_fix_rigid.html,
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"rigid/small (o)"_fix_rigid.html,
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"rigid/small/nph"_fix_rigid.html,
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"rigid/small/npt"_fix_rigid.html,
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"rigid/small/nve"_fix_rigid.html,
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"rigid/small/nvt"_fix_rigid.html,
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"rx (k)"_fix_rx.html,
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"saed/vtk"_fix_saed_vtk.html,
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"setforce (k)"_fix_setforce.html,
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"shake"_fix_shake.html,
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"shardlow (k)"_fix_shardlow.html,
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"smd"_fix_smd.html,
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"smd/adjust/dt"_fix_smd_adjust_dt.html,
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"smd/integrate/tlsph"_fix_smd_integrate_tlsph.html,
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"smd/integrate/ulsph"_fix_smd_integrate_ulsph.html,
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"smd/move/triangulated/surface"_fix_smd_move_triangulated_surface.html,
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"smd/adjust_dt"_fix_smd_adjust_dt.html,
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"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html,
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"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html,
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"smd/move_tri_surf"_fix_smd_move_triangulated_surface.html,
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"smd/setvel"_fix_smd_setvel.html,
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"smd/wall/surface"_fix_smd_wall_surface.html,
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"smd/wall_surface"_fix_smd_wall_surface.html,
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"spring"_fix_spring.html,
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"spring/chunk"_fix_spring_chunk.html,
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"spring/rg"_fix_spring_rg.html,
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@ -31,8 +31,8 @@ OPT.
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"adp (o)"_pair_adp.html,
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"agni (o)"_pair_agni.html,
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"airebo (oi)"_pair_airebo.html,
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"airebo/morse (oi)"_pair_airebo.html,
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"airebo (io)"_pair_airebo.html,
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"airebo/morse (io)"_pair_airebo.html,
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"atm"_pair_atm.html,
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"awpmd/cut"_pair_awpmd.html,
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"beck (go)"_pair_beck.html,
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@ -42,21 +42,23 @@ OPT.
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"bop"_pair_bop.html,
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"born (go)"_pair_born.html,
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"born/coul/dsf"_pair_born.html,
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"born/coul/dsf/cs"_pair_born.html,
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"born/coul/dsf/cs"_pair_cs.html,
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"born/coul/long (go)"_pair_born.html,
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"born/coul/long/cs"_pair_born.html,
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"born/coul/long/cs (g)"_pair_cs.html,
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"born/coul/msm (o)"_pair_born.html,
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"born/coul/wolf (go)"_pair_born.html,
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"born/coul/wolf/cs"_pair_born.html,
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"born/coul/wolf/cs (g)"_pair_cs.html,
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"brownian (o)"_pair_brownian.html,
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"brownian/poly (o)"_pair_brownian.html,
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"buck (giko)"_pair_buck.html,
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"buck/coul/cut (giko)"_pair_buck.html,
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"buck/coul/long (giko)"_pair_buck.html,
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"buck/coul/long/cs"_pair_buck.html,
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"buck/coul/long/cs"_pair_cs.html,
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"buck/coul/msm (o)"_pair_buck.html,
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"buck/long/coul/long (o)"_pair_buck_long.html,
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"buck/mdf"_pair_mdf.html,
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"buck6d/coul/gauss/dsf"_pair_buck6d_coul_gauss.html,
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"buck6d/coul/gauss/long"_pair_buck6d_coul_gauss.html,
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"colloid (go)"_pair_colloid.html,
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"comb (o)"_pair_comb.html,
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"comb3"_pair_comb.html,
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@ -68,7 +70,7 @@ OPT.
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"coul/long (gko)"_pair_coul.html,
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"coul/long/cs"_pair_coul.html,
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"coul/long/soft (o)"_pair_lj_soft.html,
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"coul/msm"_pair_coul.html,
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"coul/msm (o)"_pair_coul.html,
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"coul/shield"_pair_coul_shield.html,
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"coul/streitz"_pair_coul.html,
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"coul/wolf (ko)"_pair_coul.html,
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@ -91,7 +93,7 @@ OPT.
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"exp6/rx (k)"_pair_exp6_rx.html,
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"extep"_pair_extep.html,
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"gauss (go)"_pair_gauss.html,
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"gauss/cut"_pair_gauss.html,
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"gauss/cut (o)"_pair_gauss.html,
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"gayberne (gio)"_pair_gayberne.html,
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"gran/hertz/history (o)"_pair_gran.html,
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"gran/hooke (o)"_pair_gran.html,
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@ -110,9 +112,9 @@ OPT.
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"list"_pair_list.html,
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"lj/charmm/coul/charmm (iko)"_pair_charmm.html,
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"lj/charmm/coul/charmm/implicit (ko)"_pair_charmm.html,
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"lj/charmm/coul/long (giko)"_pair_charmm.html,
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"lj/charmm/coul/long/soft (o)"_pair_charmm.html,
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"lj/charmm/coul/msm"_pair_charmm.html,
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"lj/charmm/coul/long (gikot)"_pair_charmm.html,
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"lj/charmm/coul/long/soft (o)"_pair_lj_soft.html,
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"lj/charmm/coul/msm (o)"_pair_charmm.html,
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"lj/charmmfsw/coul/charmmfsh"_pair_charmm.html,
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"lj/charmmfsw/coul/long"_pair_charmm.html,
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"lj/class2 (gko)"_pair_class2.html,
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@ -130,7 +132,7 @@ OPT.
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"lj/cut/coul/msm (go)"_pair_lj.html,
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"lj/cut/coul/wolf (o)"_pair_lj.html,
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"lj/cut/dipole/cut (go)"_pair_dipole.html,
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"lj/cut/dipole/long"_pair_dipole.html,
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"lj/cut/dipole/long (g)"_pair_dipole.html,
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"lj/cut/dipole/sf (go)"_pair_dipole.html,
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"lj/cut/soft (o)"_pair_lj_soft.html,
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"lj/cut/thole/long (o)"_pair_thole.html,
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@ -138,15 +140,17 @@ OPT.
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"lj/cut/tip4p/long (ot)"_pair_lj.html,
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"lj/cut/tip4p/long/soft (o)"_pair_lj_soft.html,
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"lj/expand (gko)"_pair_lj_expand.html,
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"lj/expand/coul/long (g)"_pair_lj_expand.html,
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"lj/gromacs (gko)"_pair_gromacs.html,
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"lj/gromacs/coul/gromacs (ko)"_pair_gromacs.html,
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"lj/long/coul/long (io)"_pair_lj_long.html,
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"lj/long/coul/long (iot)"_pair_lj_long.html,
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"lj/long/dipole/long"_pair_dipole.html,
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"lj/long/tip4p/long"_pair_lj_long.html,
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"lj/long/tip4p/long (o)"_pair_lj_long.html,
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"lj/mdf"_pair_mdf.html,
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"lj/sdk (gko)"_pair_sdk.html,
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"lj/sdk/coul/long (go)"_pair_sdk.html,
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"lj/sdk/coul/msm (o)"_pair_sdk.html,
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"lj/sf/dipole/sf (go)"_pair_dipole.html,
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"lj/smooth (o)"_pair_lj_smooth.html,
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"lj/smooth/linear (o)"_pair_lj_smooth_linear.html,
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"lj96/cut (go)"_pair_lj96.html,
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@ -161,10 +165,10 @@ OPT.
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"meam/spline (o)"_pair_meam_spline.html,
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"meam/sw/spline"_pair_meam_sw_spline.html,
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"mgpt"_pair_mgpt.html,
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"mie/cut (o)"_pair_mie.html,
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"mie/cut (g)"_pair_mie.html,
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"momb"_pair_momb.html,
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"morse (gkot)"_pair_morse.html,
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"morse/smooth/linear"_pair_morse.html,
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"morse/smooth/linear (o)"_pair_morse.html,
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"morse/soft"_pair_morse.html,
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"multi/lucy"_pair_multi_lucy.html,
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"multi/lucy/rx (k)"_pair_multi_lucy_rx.html,
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@ -180,7 +184,9 @@ OPT.
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"oxdna2/coaxstk"_pair_oxdna2.html,
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"oxdna2/dh"_pair_oxdna2.html,
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"oxdna2/excv"_pair_oxdna2.html,
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"oxdna2/hbond"_pair_oxdna2.html,
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"oxdna2/stk"_pair_oxdna2.html,
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"oxdna2/xstk"_pair_oxdna2.html,
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"peri/eps"_pair_peri.html,
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"peri/lps (o)"_pair_peri.html,
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"peri/pmb (o)"_pair_peri.html,
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@ -190,11 +196,11 @@ OPT.
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"quip"_pair_quip.html,
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"reax"_pair_reax.html,
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"reax/c (ko)"_pair_reaxc.html,
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"rebo (oi)"_pair_airebo.html,
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"rebo (io)"_pair_airebo.html,
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"resquared (go)"_pair_resquared.html,
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"smd/hertz"_pair_smd_hertz.html,
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"smd/tlsph"_pair_smd_tlsph.html,
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"smd/triangulated/surface"_pair_smd_triangulated_surface.html,
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"smd/tri_surface"_pair_smd_triangulated_surface.html,
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"smd/ulsph"_pair_smd_ulsph.html,
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"smtbq"_pair_smtbq.html,
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"snap (k)"_pair_snap.html,
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@ -226,8 +232,8 @@ OPT.
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"tip4p/long/soft (o)"_pair_lj_soft.html,
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"tri/lj"_pair_tri_lj.html,
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"ufm (got)"_pair_ufm.html,
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"vashishta (ko)"_pair_vashishta.html,
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"vashishta (gko)"_pair_vashishta.html,
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"vashishta/table (o)"_pair_vashishta.html,
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"yukawa (gok)"_pair_yukawa.html,
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"yukawa (gko)"_pair_yukawa.html,
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"yukawa/colloid (go)"_pair_yukawa_colloid.html,
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"zbl (gok)"_pair_zbl.html :tb(c=4,ea=c)
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"zbl (gko)"_pair_zbl.html :tb(c=4,ea=c)
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@ -62,18 +62,18 @@ which are included in the LAMMPS distribution. The full list of all
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angle styles are is on the "Commands bond"_Commands_bond.html#angle
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doc page.
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"angle_style none"_angle_none.html - turn off angle interactions
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"angle_style zero"_angle_zero.html - topology but no interactions
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"angle_style hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul
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"none"_angle_none.html - turn off angle interactions
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"zero"_angle_zero.html - topology but no interactions
|
||||
"hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul
|
||||
|
||||
"angle_style charmm"_angle_charmm.html - CHARMM angle
|
||||
"angle_style class2"_angle_class2.html - COMPASS (class 2) angle
|
||||
"angle_style cosine"_angle_cosine.html - cosine angle potential
|
||||
"angle_style cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential
|
||||
"angle_style cosine/periodic"_angle_cosine_periodic.html - DREIDING angle
|
||||
"angle_style cosine/squared"_angle_cosine_squared.html - cosine squared angle potential
|
||||
"angle_style harmonic"_angle_harmonic.html - harmonic angle
|
||||
"angle_style table"_angle_table.html - tabulated by angle :ul
|
||||
"charmm"_angle_charmm.html - CHARMM angle
|
||||
"class2"_angle_class2.html - COMPASS (class 2) angle
|
||||
"cosine"_angle_cosine.html - cosine angle potential
|
||||
"cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential
|
||||
"cosine/periodic"_angle_cosine_periodic.html - DREIDING angle
|
||||
"cosine/squared"_angle_cosine_squared.html - cosine squared angle potential
|
||||
"harmonic"_angle_harmonic.html - harmonic angle
|
||||
"table"_angle_table.html - tabulated by angle :ul
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
|
|
@ -69,18 +69,18 @@ Note that there are also additional bond styles submitted by users
|
|||
which are included in the LAMMPS distribution. The full list of all
|
||||
bond styles is on the "Commands bond"_Commands_bond.html doc page.
|
||||
|
||||
"bond_style none"_bond_none.html - turn off bonded interactions
|
||||
"bond_style zero"_bond_zero.html - topology but no interactions
|
||||
"bond_style hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul
|
||||
"none"_bond_none.html - turn off bonded interactions
|
||||
"zero"_bond_zero.html - topology but no interactions
|
||||
"hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul
|
||||
|
||||
"bond_style class2"_bond_class2.html - COMPASS (class 2) bond
|
||||
"bond_style fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond
|
||||
"bond_style fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles
|
||||
"bond_style harmonic"_bond_harmonic.html - harmonic bond
|
||||
"bond_style morse"_bond_morse.html - Morse bond
|
||||
"bond_style nonlinear"_bond_nonlinear.html - nonlinear bond
|
||||
"bond_style quartic"_bond_quartic.html - breakable quartic bond
|
||||
"bond_style table"_bond_table.html - tabulated by bond length :ul
|
||||
"class2"_bond_class2.html - COMPASS (class 2) bond
|
||||
"fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond
|
||||
"fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles
|
||||
"harmonic"_bond_harmonic.html - harmonic bond
|
||||
"morse"_bond_morse.html - Morse bond
|
||||
"nonlinear"_bond_nonlinear.html - nonlinear bond
|
||||
"quartic"_bond_quartic.html - breakable quartic bond
|
||||
"table"_bond_table.html - tabulated by bond length :ul
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
|
|
@ -230,15 +230,19 @@ compute"_Commands_compute.html doc page are followed by one or more of
|
|||
"reduce/region"_compute_reduce.html - same as compute reduce, within a region
|
||||
"rigid/local"_compute_rigid_local.html - extract rigid body attributes
|
||||
"slice"_compute_slice.html - extract values from global vector or array
|
||||
"smd/triangle/vertices"_compute_smd_triangle_vertices.html -
|
||||
"sna/atom"_compute_sna_atom.html - calculate bispectrum coefficients for each atom
|
||||
"snad/atom"_compute_sna_atom.html - derivative of bispectrum coefficients for each atom
|
||||
"snav/atom"_compute_sna_atom.html - virial contribution from bispectrum coefficients for each atom
|
||||
"stress/atom"_compute_stress_atom.html - stress tensor for each atom
|
||||
"stress/mop"_compute_stress_mop.html -
|
||||
"stress/mop/profile"_compute_stress_mop.html -
|
||||
"temp"_compute_temp.html - temperature of group of atoms
|
||||
"temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles
|
||||
"temp/body"_compute_temp_body.html - temperature of body particles
|
||||
"temp/chunk"_compute_temp_chunk.html - temperature of each chunk
|
||||
"temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity
|
||||
"temp/cs"_compute_temp_cs.html -
|
||||
"temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity
|
||||
"temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity
|
||||
"temp/profile"_compute_temp_profile.html - temperature excluding a binned velocity profile
|
||||
|
|
|
|||
|
|
@ -85,16 +85,16 @@ which are included in the LAMMPS distribution. The full list of all
|
|||
dihedral styles is on the "Commands bond"_Commands_bond.html#dihedral
|
||||
doc page.
|
||||
|
||||
"dihedral_style none"_dihedral_none.html - turn off dihedral interactions
|
||||
"dihedral_style zero"_dihedral_zero.html - topology but no interactions
|
||||
"dihedral_style hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul
|
||||
"none"_dihedral_none.html - turn off dihedral interactions
|
||||
"zero"_dihedral_zero.html - topology but no interactions
|
||||
"hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul
|
||||
|
||||
"dihedral_style charmm"_dihedral_charmm.html - CHARMM dihedral
|
||||
"dihedral_style class2"_dihedral_class2.html - COMPASS (class 2) dihedral
|
||||
"dihedral_style harmonic"_dihedral_harmonic.html - harmonic dihedral
|
||||
"dihedral_style helix"_dihedral_helix.html - helix dihedral
|
||||
"dihedral_style multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral
|
||||
"dihedral_style opls"_dihedral_opls.html - OPLS dihedral :ul
|
||||
"charmm"_dihedral_charmm.html - CHARMM dihedral
|
||||
"class2"_dihedral_class2.html - COMPASS (class 2) dihedral
|
||||
"harmonic"_dihedral_harmonic.html - harmonic dihedral
|
||||
"helix"_dihedral_helix.html - helix dihedral
|
||||
"multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral
|
||||
"opls"_dihedral_opls.html - OPLS dihedral :ul
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
|
|
@ -64,14 +64,14 @@ which are included in the LAMMPS distribution. The full list of all
|
|||
improper styles is on the "Commands bond"_Commands_bond.html#improper
|
||||
doc page.
|
||||
|
||||
"improper_style none"_improper_none.html - turn off improper interactions
|
||||
"improper_style zero"_improper_zero.html - topology but no interactions
|
||||
"improper_style hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul
|
||||
"none"_improper_none.html - turn off improper interactions
|
||||
"zero"_improper_zero.html - topology but no interactions
|
||||
"hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul
|
||||
|
||||
"improper_style class2"_improper_class2.html - COMPASS (class 2) improper
|
||||
"improper_style cvff"_improper_cvff.html - CVFF improper
|
||||
"improper_style harmonic"_improper_harmonic.html - harmonic improper
|
||||
"improper_style umbrella"_improper_umbrella.html - DREIDING improper :ul
|
||||
"class2"_improper_class2.html - COMPASS (class 2) improper
|
||||
"cvff"_improper_cvff.html - CVFF improper
|
||||
"harmonic"_improper_harmonic.html - harmonic improper
|
||||
"umbrella"_improper_umbrella.html - DREIDING improper :ul
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
|
|
@ -24,21 +24,21 @@ pair_style born/coul/dsf command :h3
|
|||
|
||||
pair_style style args :pre
|
||||
|
||||
style = {born} or {born/coul/long} or {born/coul/long/cs} or {born/coul/msm} or {born/coul/wolf}
|
||||
style = {born} or {born/coul/long} or {born/coul/msm} or {born/coul/wolf}
|
||||
args = list of arguments for a particular style :ul
|
||||
{born} args = cutoff
|
||||
cutoff = global cutoff for non-Coulombic interactions (distance units)
|
||||
{born/coul/long} or {born/coul/long/cs} args = cutoff (cutoff2)
|
||||
{born/coul/long} args = cutoff (cutoff2)
|
||||
cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
|
||||
cutoff2 = global cutoff for Coulombic (optional) (distance units)
|
||||
{born/coul/msm} args = cutoff (cutoff2)
|
||||
cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
|
||||
cutoff2 = global cutoff for Coulombic (optional) (distance units)
|
||||
{born/coul/wolf} or {born/coul/wolf/cs} args = alpha cutoff (cutoff2)
|
||||
{born/coul/wolf} args = alpha cutoff (cutoff2)
|
||||
alpha = damping parameter (inverse distance units)
|
||||
cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
|
||||
cutoff2 = global cutoff for Coulombic (optional) (distance units)
|
||||
{born/coul/dsf} or {born/coul/dsf/cs} args = alpha cutoff (cutoff2)
|
||||
{born/coul/dsf} args = alpha cutoff (cutoff2)
|
||||
alpha = damping parameter (inverse distance units)
|
||||
cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
|
||||
cutoff2 = global cutoff for Coulombic (distance units) :pre
|
||||
|
|
|
|||
|
|
@ -19,8 +19,6 @@ pair_style coul/dsf/gpu command :h3
|
|||
pair_style coul/dsf/kk command :h3
|
||||
pair_style coul/dsf/omp command :h3
|
||||
pair_style coul/long command :h3
|
||||
pair_style coul/long/cs command :h3
|
||||
pair_style coul/long/cs/gpu command :h3
|
||||
pair_style coul/long/omp command :h3
|
||||
pair_style coul/long/gpu command :h3
|
||||
pair_style coul/long/kk command :h3
|
||||
|
|
@ -30,7 +28,6 @@ pair_style coul/streitz command :h3
|
|||
pair_style coul/wolf command :h3
|
||||
pair_style coul/wolf/kk command :h3
|
||||
pair_style coul/wolf/omp command :h3
|
||||
pair_style coul/wolf/cs command :h3
|
||||
pair_style tip4p/cut command :h3
|
||||
pair_style tip4p/long command :h3
|
||||
pair_style tip4p/cut/omp command :h3
|
||||
|
|
@ -42,10 +39,8 @@ pair_style coul/cut cutoff
|
|||
pair_style coul/debye kappa cutoff
|
||||
pair_style coul/dsf alpha cutoff
|
||||
pair_style coul/long cutoff
|
||||
pair_style coul/long/cs cutoff
|
||||
pair_style coul/long/gpu cutoff
|
||||
pair_style coul/wolf alpha cutoff
|
||||
pair_style coul/wolf/cs alpha cutoff
|
||||
pair_style coul/streitz cutoff keyword alpha
|
||||
pair_style tip4p/cut otype htype btype atype qdist cutoff
|
||||
pair_style tip4p/long otype htype btype atype qdist cutoff :pre
|
||||
|
|
@ -68,14 +63,12 @@ pair_style coul/dsf 0.05 10.0
|
|||
pair_coeff * * :pre
|
||||
|
||||
pair_style coul/long 10.0
|
||||
pair_style coul/long/cs 10.0
|
||||
pair_coeff * * :pre
|
||||
|
||||
pair_style coul/msm 10.0
|
||||
pair_coeff * * :pre
|
||||
|
||||
pair_style coul/wolf 0.2 9.0
|
||||
pair_style coul/wolf/cs 0.2 9.0
|
||||
pair_coeff * * :pre
|
||||
|
||||
pair_style coul/streitz 12.0 ewald
|
||||
|
|
@ -204,12 +197,6 @@ option. The Coulombic cutoff specified for this style means that
|
|||
pairwise interactions within this distance are computed directly;
|
||||
interactions outside that distance are computed in reciprocal space.
|
||||
|
||||
Style {coul/long/cs} is identical to {coul/long} except that a term is
|
||||
added for the "core/shell model"_Howto_coreshell.html to allow charges
|
||||
on core and shell particles to be separated by r = 0.0. The same
|
||||
correction is introduced for the {coul/wolf/cs} style which is
|
||||
identical to {coul/wolf}.
|
||||
|
||||
Styles {tip4p/cut} and {tip4p/long} implement the coulomb part of
|
||||
the TIP4P water model of "(Jorgensen)"_#Jorgensen3, which introduces
|
||||
a massless site located a short distance away from the oxygen atom
|
||||
|
|
@ -317,9 +304,9 @@ This pair style can only be used via the {pair} keyword of the
|
|||
[Restrictions:]
|
||||
|
||||
The {coul/long}, {coul/msm} and {tip4p/long} styles are part of the
|
||||
KSPACE package. The {coul/long/cs} style is part of the CORESHELL
|
||||
package. They are only enabled if LAMMPS was built with that package.
|
||||
See the "Build package"_Build_package.html doc page for more info.
|
||||
KSPACE package. They are only enabled if LAMMPS was built with that
|
||||
package. See the "Build package"_Build_package.html doc page for more
|
||||
info.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
|||
|
|
@ -12,6 +12,7 @@ pair_style buck/coul/long/cs command :h3
|
|||
pair_style born/coul/dsf/cs command :h3
|
||||
pair_style born/coul/wolf/cs command :h3
|
||||
pair_style born/coul/wolf/cs/gpu command :h3
|
||||
pair_style lj/cut/coul/long/cs command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
|
|
@ -52,6 +53,11 @@ pair_style born/coul/wolf/cs 0.25 10.0 12.0
|
|||
pair_coeff * * 0.0 1.00 0.00 0.00 0.00
|
||||
pair_coeff 1 1 480.0 0.25 0.00 1.05 0.50 :pre
|
||||
|
||||
pair_style lj/cut/coul/long/cs 10.0
|
||||
pair_style lj/cut/coul/long/cs 10.0 8.0
|
||||
pair_coeff * * 100.0 3.0
|
||||
pair_coeff 1 1 100.0 3.5 9.0 :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
These pair styles are designed to be used with the adiabatic
|
||||
|
|
@ -99,6 +105,11 @@ a long-range solver, thus the only correction is the addition of a
|
|||
minimal distance to avoid the possible r = 0.0 case for a
|
||||
core/shell pair.
|
||||
|
||||
Style {lj/cut/coul/long/cs} is identical to {lj/cut/coul/long} except
|
||||
that a term is added for the "core/shell model"_Howto_coreshell.html
|
||||
to allow charges on core and shell particles to be separated by r =
|
||||
0.0.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
|
|
|
|||
|
|
@ -25,7 +25,6 @@ pair_style lj/cut/coul/dsf/gpu command :h3
|
|||
pair_style lj/cut/coul/dsf/kk command :h3
|
||||
pair_style lj/cut/coul/dsf/omp command :h3
|
||||
pair_style lj/cut/coul/long command :h3
|
||||
pair_style lj/cut/coul/long/cs command :h3
|
||||
pair_style lj/cut/coul/long/gpu command :h3
|
||||
pair_style lj/cut/coul/long/kk command :h3
|
||||
pair_style lj/cut/coul/long/intel command :h3
|
||||
|
|
@ -46,7 +45,7 @@ pair_style lj/cut/tip4p/long/opt command :h3
|
|||
|
||||
pair_style style args :pre
|
||||
|
||||
style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} or {lj/cut/coul/long/cs} or {lj/cut/coul/msm} or {lj/cut/tip4p/long}
|
||||
style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} {lj/cut/coul/msm} or {lj/cut/tip4p/long}
|
||||
args = list of arguments for a particular style :ul
|
||||
{lj/cut} args = cutoff
|
||||
cutoff = global cutoff for Lennard Jones interactions (distance units)
|
||||
|
|
@ -107,9 +106,7 @@ pair_coeff * * 1.0 1.0
|
|||
pair_coeff 1 1 1.0 1.0 2.5 :pre
|
||||
|
||||
pair_style lj/cut/coul/long 10.0
|
||||
pair_style lj/cut/coul/long/cs 10.0
|
||||
pair_style lj/cut/coul/long 10.0 8.0
|
||||
pair_style lj/cut/coul/long/cs 10.0 8.0
|
||||
pair_coeff * * 100.0 3.0
|
||||
pair_coeff 1 1 100.0 3.5 9.0 :pre
|
||||
|
||||
|
|
@ -186,11 +183,6 @@ specified for this style means that pairwise interactions within this
|
|||
distance are computed directly; interactions outside that distance are
|
||||
computed in reciprocal space.
|
||||
|
||||
Style {lj/cut/coul/long/cs} is identical to {lj/cut/coul/long} except
|
||||
that a term is added for the "core/shell model"_Howto_coreshell.html
|
||||
to allow charges on core and shell particles to be separated by r =
|
||||
0.0.
|
||||
|
||||
Style {coul/wolf} adds a Coulombic pairwise interaction via the Wolf
|
||||
summation method, described in "Wolf"_#Wolf1, given by:
|
||||
|
||||
|
|
|
|||
|
|
@ -95,120 +95,122 @@ GPUs, and KNLs. The individual style names on the "Commands
|
|||
pair"_Commands_pair.html doc page are followed by one or more of
|
||||
(g,i,k,o,t) to indicate which accelerated styles exist.
|
||||
|
||||
"pair_style none"_pair_none.html - turn off pairwise interactions
|
||||
"pair_style hybrid"_pair_hybrid.html - multiple styles of pairwise interactions
|
||||
"pair_style hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions
|
||||
"pair_style zero"_pair_zero.html - neighbor list but no interactions :ul
|
||||
"none"_pair_none.html - turn off pairwise interactions
|
||||
"hybrid"_pair_hybrid.html - multiple styles of pairwise interactions
|
||||
"hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions
|
||||
"zero"_pair_zero.html - neighbor list but no interactions :ul
|
||||
|
||||
"pair_style adp"_pair_adp.html - angular dependent potential (ADP) of Mishin
|
||||
"pair_style airebo"_pair_airebo.html - AIREBO potential of Stuart
|
||||
"pair_style airebo/morse"_pair_airebo.html - AIREBO with Morse instead of LJ
|
||||
"pair_style atm"_pair_atm.html - Axilrod-Teller-Muto potential
|
||||
"pair_style beck"_pair_beck.html - Beck potential
|
||||
"pair_style body/nparticle"_pair_body_nparticle.html - interactions between body particles
|
||||
"pair_style bop"_pair_bop.html - BOP potential of Pettifor
|
||||
"pair_style born"_pair_born.html - Born-Mayer-Huggins potential
|
||||
"pair_style born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulombics
|
||||
"pair_style born/coul/long/cs"_pair_born.html - Born-Mayer-Huggins with long-range Coulombics and core/shell
|
||||
"pair_style born/coul/msm"_pair_born.html - Born-Mayer-Huggins with long-range MSM Coulombics
|
||||
"pair_style born/coul/wolf"_pair_born.html - Born-Mayer-Huggins with Coulombics via Wolf potential
|
||||
"pair_style brownian"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics
|
||||
"pair_style brownian/poly"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics with polydispersity
|
||||
"pair_style buck"_pair_buck.html - Buckingham potential
|
||||
"pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
|
||||
"pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulombics
|
||||
"pair_style buck/coul/long/cs"_pair_buck.html - Buckingham with long-range Coulombics and core/shell
|
||||
"pair_style buck/coul/msm"_pair_buck.html - Buckingham long-range MSM Coulombics
|
||||
"pair_style buck/long/coul/long"_pair_buck_long.html - long-range Buckingham with long-range Coulombics
|
||||
"pair_style colloid"_pair_colloid.html - integrated colloidal potential
|
||||
"pair_style comb"_pair_comb.html - charge-optimized many-body (COMB) potential
|
||||
"pair_style comb3"_pair_comb.html - charge-optimized many-body (COMB3) potential
|
||||
"pair_style coul/cut"_pair_coul.html - cutoff Coulombic potential
|
||||
"pair_style coul/debye"_pair_coul.html - cutoff Coulombic potential with Debye screening
|
||||
"pair_style coul/dsf"_pair_coul.html - Coulombics via damped shifted forces
|
||||
"pair_style coul/long"_pair_coul.html - long-range Coulombic potential
|
||||
"pair_style coul/long/cs"_pair_coul.html - long-range Coulombic potential and core/shell
|
||||
"pair_style coul/msm"_pair_coul.html - long-range MSM Coulombics
|
||||
"pair_style coul/streitz"_pair_coul.html - Coulombics via Streitz/Mintmire Slater orbitals
|
||||
"pair_style coul/wolf"_pair_coul.html - Coulombics via Wolf potential
|
||||
"pair_style dpd"_pair_dpd.html - dissipative particle dynamics (DPD)
|
||||
"pair_style dpd/tstat"_pair_dpd.html - DPD thermostatting
|
||||
"pair_style dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC)
|
||||
"pair_style eam"_pair_eam.html - embedded atom method (EAM)
|
||||
"pair_style eam/alloy"_pair_eam.html - alloy EAM
|
||||
"pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM
|
||||
"pair_style eim"_pair_eim.html - embedded ion method (EIM)
|
||||
"pair_style gauss"_pair_gauss.html - Gaussian potential
|
||||
"pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential
|
||||
"pair_style gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions
|
||||
"pair_style gran/hooke"_pair_gran.html - granular potential with history effects
|
||||
"pair_style gran/hooke/history"_pair_gran.html - granular potential without history effects
|
||||
"pair_style hbond/dreiding/lj"_pair_hbond_dreiding.html - DREIDING hydrogen bonding LJ potential
|
||||
"pair_style hbond/dreiding/morse"_pair_hbond_dreiding.html - DREIDING hydrogen bonding Morse potential
|
||||
"pair_style kim"_pair_kim.html - interface to potentials provided by KIM project
|
||||
"pair_style lcbop"_pair_lcbop.html - long-range bond-order potential (LCBOP)
|
||||
"pair_style line/lj"_pair_line_lj.html - LJ potential between line segments
|
||||
"pair_style lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb
|
||||
"pair_style lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent
|
||||
"pair_style lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb
|
||||
"pair_style lj/charmm/coul/msm"_pair_charmm.html - CHARMM with long-range MSM Coulombics
|
||||
"pair_style lj/class2"_pair_class2.html - COMPASS (class 2) force field with no Coulomb
|
||||
"pair_style lj/class2/coul/cut"_pair_class2.html - COMPASS with cutoff Coulomb
|
||||
"pair_style lj/class2/coul/long"_pair_class2.html - COMPASS with long-range Coulomb
|
||||
"pair_style lj/cubic"_pair_lj_cubic.html - LJ with cubic after inflection point
|
||||
"pair_style lj/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb
|
||||
"pair_style lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb
|
||||
"pair_style lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb
|
||||
"pair_style lj/cut/coul/dsf"_pair_lj.html - LJ with Coulombics via damped shifted forces
|
||||
"pair_style lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulombics
|
||||
"pair_style lj/cut/coul/long/cs"_pair_lj.html - LJ with long-range Coulombics and core/shell
|
||||
"pair_style lj/cut/coul/msm"_pair_lj.html - LJ with long-range MSM Coulombics
|
||||
"pair_style lj/cut/dipole/cut"_pair_dipole.html - point dipoles with cutoff
|
||||
"pair_style lj/cut/dipole/long"_pair_dipole.html - point dipoles with long-range Ewald
|
||||
"pair_style lj/cut/tip4p/cut"_pair_lj.html - LJ with cutoff Coulomb for TIP4P water
|
||||
"pair_style lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
|
||||
"pair_style lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles
|
||||
"pair_style lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential
|
||||
"pair_style lj/gromacs/coul/gromacs"_pair_gromacs.html - GROMACS-style LJ and Coulombic potential
|
||||
"pair_style lj/long/coul/long"_pair_lj_long.html - long-range LJ and long-range Coulombics
|
||||
"pair_style lj/long/dipole/long"_pair_dipole.html - long-range LJ and long-range point dipoles
|
||||
"pair_style lj/long/tip4p/long"_pair_lj_long.html - long-range LJ and long-range Coulomb for TIP4P water
|
||||
"pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential
|
||||
"pair_style lj/smooth/linear"_pair_lj_smooth_linear.html - linear smoothed Lennard-Jones potential
|
||||
"pair_style lj96/cut"_pair_lj96.html - Lennard-Jones 9/6 potential
|
||||
"pair_style lubricate"_pair_lubricate.html - hydrodynamic lubrication forces
|
||||
"pair_style lubricate/poly"_pair_lubricate.html - hydrodynamic lubrication forces with polydispersity
|
||||
"pair_style lubricateU"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||
"pair_style lubricateU/poly"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication with polydispersity
|
||||
"pair_style meam"_pair_meam.html - modified embedded atom method (MEAM)
|
||||
"pair_style mie/cut"_pair_mie.html - Mie potential
|
||||
"pair_style morse"_pair_morse.html - Morse potential
|
||||
"pair_style nb3b/harmonic"_pair_nb3b_harmonic.html - nonbonded 3-body harmonic potential
|
||||
"pair_style nm/cut"_pair_nm.html - N-M potential
|
||||
"pair_style nm/cut/coul/cut"_pair_nm.html - N-M potential with cutoff Coulomb
|
||||
"pair_style nm/cut/coul/long"_pair_nm.html - N-M potential with long-range Coulombics
|
||||
"pair_style peri/eps"_pair_peri.html - peridynamic EPS potential
|
||||
"pair_style peri/lps"_pair_peri.html - peridynamic LPS potential
|
||||
"pair_style peri/pmb"_pair_peri.html - peridynamic PMB potential
|
||||
"pair_style peri/ves"_pair_peri.html - peridynamic VES potential
|
||||
"pair_style polymorphic"_pair_polymorphic.html - polymorphic 3-body potential
|
||||
"pair_style reax"_pair_reax.html - ReaxFF potential
|
||||
"pair_style rebo"_pair_airebo.html - 2nd generation REBO potential of Brenner
|
||||
"pair_style resquared"_pair_resquared.html - Everaers RE-Squared ellipsoidal potential
|
||||
"pair_style snap"_pair_snap.html - SNAP quantum-accurate potential
|
||||
"pair_style soft"_pair_soft.html - Soft (cosine) potential
|
||||
"pair_style sw"_pair_sw.html - Stillinger-Weber 3-body potential
|
||||
"pair_style table"_pair_table.html - tabulated pair potential
|
||||
"pair_style tersoff"_pair_tersoff.html - Tersoff 3-body potential
|
||||
"pair_style tersoff/mod"_pair_tersoff_mod.html - modified Tersoff 3-body potential
|
||||
"pair_style tersoff/zbl"_pair_tersoff_zbl.html - Tersoff/ZBL 3-body potential
|
||||
"pair_style tip4p/cut"_pair_coul.html - Coulomb for TIP4P water w/out LJ
|
||||
"pair_style tip4p/long"_pair_coul.html - long-range Coulombics for TIP4P water w/out LJ
|
||||
"pair_style tri/lj"_pair_tri_lj.html - LJ potential between triangles
|
||||
"pair_style vashishta"_pair_vashishta.html - Vashishta 2-body and 3-body potential
|
||||
"pair_style yukawa"_pair_yukawa.html - Yukawa potential
|
||||
"pair_style yukawa/colloid"_pair_yukawa_colloid.html - screened Yukawa potential for finite-size particles
|
||||
"pair_style zbl"_pair_zbl.html - Ziegler-Biersack-Littmark potential :ul
|
||||
"adp"_pair_adp.html - angular dependent potential (ADP) of Mishin
|
||||
"airebo"_pair_airebo.html - AIREBO potential of Stuart
|
||||
"airebo/morse"_pair_airebo.html - AIREBO with Morse instead of LJ
|
||||
"atm"_pair_atm.html - Axilrod-Teller-Muto potential
|
||||
"beck"_pair_beck.html - Beck potential
|
||||
"body/nparticle"_pair_body_nparticle.html - interactions between body particles
|
||||
"bop"_pair_bop.html - BOP potential of Pettifor
|
||||
"born"_pair_born.html - Born-Mayer-Huggins potential
|
||||
"born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulombics
|
||||
"born/coul/long/cs"_pair_cs.html - Born-Mayer-Huggins with long-range Coulombics and core/shell
|
||||
"born/coul/msm"_pair_born.html - Born-Mayer-Huggins with long-range MSM Coulombics
|
||||
"born/coul/wolf"_pair_born.html - Born-Mayer-Huggins with Coulombics via Wolf potential
|
||||
"brownian"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics
|
||||
"brownian/poly"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics with polydispersity
|
||||
"buck"_pair_buck.html - Buckingham potential
|
||||
"buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
|
||||
"buck/coul/long"_pair_buck.html - Buckingham with long-range Coulombics
|
||||
"buck/coul/long/cs"_pair_cs.html - Buckingham with long-range Coulombics and core/shell
|
||||
"buck/coul/msm"_pair_buck.html - Buckingham long-range MSM Coulombics
|
||||
"buck/long/coul/long"_pair_buck_long.html - long-range Buckingham with long-range Coulombics
|
||||
"buck6d/coul/gauss/dsf"_pair_buck6d_coul_gauss.html -
|
||||
"buck6d/coul/gauss/long"_pair_buck6d_coul_gauss.html -
|
||||
"colloid"_pair_colloid.html - integrated colloidal potential
|
||||
"comb"_pair_comb.html - charge-optimized many-body (COMB) potential
|
||||
"comb3"_pair_comb.html - charge-optimized many-body (COMB3) potential
|
||||
"coul/cut"_pair_coul.html - cutoff Coulombic potential
|
||||
"coul/debye"_pair_coul.html - cutoff Coulombic potential with Debye screening
|
||||
"coul/dsf"_pair_coul.html - Coulombics via damped shifted forces
|
||||
"coul/long"_pair_coul.html - long-range Coulombic potential
|
||||
"coul/long/cs"_pair_cs.html - long-range Coulombic potential and core/shell
|
||||
"coul/msm"_pair_coul.html - long-range MSM Coulombics
|
||||
"coul/streitz"_pair_coul.html - Coulombics via Streitz/Mintmire Slater orbitals
|
||||
"coul/wolf"_pair_coul.html - Coulombics via Wolf potential
|
||||
"dpd"_pair_dpd.html - dissipative particle dynamics (DPD)
|
||||
"dpd/tstat"_pair_dpd.html - DPD thermostatting
|
||||
"dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC)
|
||||
"eam"_pair_eam.html - embedded atom method (EAM)
|
||||
"eam/alloy"_pair_eam.html - alloy EAM
|
||||
"eam/fs"_pair_eam.html - Finnis-Sinclair EAM
|
||||
"eim"_pair_eim.html - embedded ion method (EIM)
|
||||
"gauss"_pair_gauss.html - Gaussian potential
|
||||
"gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential
|
||||
"gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions
|
||||
"gran/hooke"_pair_gran.html - granular potential with history effects
|
||||
"gran/hooke/history"_pair_gran.html - granular potential without history effects
|
||||
"hbond/dreiding/lj"_pair_hbond_dreiding.html - DREIDING hydrogen bonding LJ potential
|
||||
"hbond/dreiding/morse"_pair_hbond_dreiding.html - DREIDING hydrogen bonding Morse potential
|
||||
"kim"_pair_kim.html - interface to potentials provided by KIM project
|
||||
"lcbop"_pair_lcbop.html - long-range bond-order potential (LCBOP)
|
||||
"line/lj"_pair_line_lj.html - LJ potential between line segments
|
||||
"lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb
|
||||
"lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent
|
||||
"lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb
|
||||
"lj/charmm/coul/msm"_pair_charmm.html - CHARMM with long-range MSM Coulombics
|
||||
"lj/class2"_pair_class2.html - COMPASS (class 2) force field with no Coulomb
|
||||
"lj/class2/coul/cut"_pair_class2.html - COMPASS with cutoff Coulomb
|
||||
"lj/class2/coul/long"_pair_class2.html - COMPASS with long-range Coulomb
|
||||
"lj/cubic"_pair_lj_cubic.html - LJ with cubic after inflection point
|
||||
"lj/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb
|
||||
"lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb
|
||||
"lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb
|
||||
"lj/cut/coul/dsf"_pair_lj.html - LJ with Coulombics via damped shifted forces
|
||||
"lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulombics
|
||||
"lj/cut/coul/long/cs"_pair_lj.html - LJ with long-range Coulombics and core/shell
|
||||
"lj/cut/coul/msm"_pair_lj.html - LJ with long-range MSM Coulombics
|
||||
"lj/cut/dipole/cut"_pair_dipole.html - point dipoles with cutoff
|
||||
"lj/cut/dipole/long"_pair_dipole.html - point dipoles with long-range Ewald
|
||||
"lj/cut/tip4p/cut"_pair_lj.html - LJ with cutoff Coulomb for TIP4P water
|
||||
"lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
|
||||
"lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles
|
||||
"lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential
|
||||
"lj/gromacs/coul/gromacs"_pair_gromacs.html - GROMACS-style LJ and Coulombic potential
|
||||
"lj/long/coul/long"_pair_lj_long.html - long-range LJ and long-range Coulombics
|
||||
"lj/long/dipole/long"_pair_dipole.html - long-range LJ and long-range point dipoles
|
||||
"lj/long/tip4p/long"_pair_lj_long.html - long-range LJ and long-range Coulomb for TIP4P water
|
||||
"lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential
|
||||
"lj/smooth/linear"_pair_lj_smooth_linear.html - linear smoothed Lennard-Jones potential
|
||||
"lj96/cut"_pair_lj96.html - Lennard-Jones 9/6 potential
|
||||
"lubricate"_pair_lubricate.html - hydrodynamic lubrication forces
|
||||
"lubricate/poly"_pair_lubricate.html - hydrodynamic lubrication forces with polydispersity
|
||||
"lubricateU"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||
"lubricateU/poly"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication with polydispersity
|
||||
"meam"_pair_meam.html - modified embedded atom method (MEAM)
|
||||
"mie/cut"_pair_mie.html - Mie potential
|
||||
"morse"_pair_morse.html - Morse potential
|
||||
"nb3b/harmonic"_pair_nb3b_harmonic.html - nonbonded 3-body harmonic potential
|
||||
"nm/cut"_pair_nm.html - N-M potential
|
||||
"nm/cut/coul/cut"_pair_nm.html - N-M potential with cutoff Coulomb
|
||||
"nm/cut/coul/long"_pair_nm.html - N-M potential with long-range Coulombics
|
||||
"peri/eps"_pair_peri.html - peridynamic EPS potential
|
||||
"peri/lps"_pair_peri.html - peridynamic LPS potential
|
||||
"peri/pmb"_pair_peri.html - peridynamic PMB potential
|
||||
"peri/ves"_pair_peri.html - peridynamic VES potential
|
||||
"polymorphic"_pair_polymorphic.html - polymorphic 3-body potential
|
||||
"reax"_pair_reax.html - ReaxFF potential
|
||||
"rebo"_pair_airebo.html - 2nd generation REBO potential of Brenner
|
||||
"resquared"_pair_resquared.html - Everaers RE-Squared ellipsoidal potential
|
||||
"snap"_pair_snap.html - SNAP quantum-accurate potential
|
||||
"soft"_pair_soft.html - Soft (cosine) potential
|
||||
"sw"_pair_sw.html - Stillinger-Weber 3-body potential
|
||||
"table"_pair_table.html - tabulated pair potential
|
||||
"tersoff"_pair_tersoff.html - Tersoff 3-body potential
|
||||
"tersoff/mod"_pair_tersoff_mod.html - modified Tersoff 3-body potential
|
||||
"tersoff/zbl"_pair_tersoff_zbl.html - Tersoff/ZBL 3-body potential
|
||||
"tip4p/cut"_pair_coul.html - Coulomb for TIP4P water w/out LJ
|
||||
"tip4p/long"_pair_coul.html - long-range Coulombics for TIP4P water w/out LJ
|
||||
"tri/lj"_pair_tri_lj.html - LJ potential between triangles
|
||||
"vashishta"_pair_vashishta.html - Vashishta 2-body and 3-body potential
|
||||
"yukawa"_pair_yukawa.html - Yukawa potential
|
||||
"yukawa/colloid"_pair_yukawa_colloid.html - screened Yukawa potential for finite-size particles
|
||||
"zbl"_pair_zbl.html - Ziegler-Biersack-Littmark potential :ul
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue